Structure 1568153

1568152 << 1568153 >> 1568154
Original COD entry Download CIF Download DOT

Citation: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. (2022). Discovery of chalcogenides structures and compositions using mixed fluxes. Nature, 612, pp. 72-77.

Formula: Ba1.89 Cu5.56 O Se4

Cell parameters:

  • a = 19.354(4) Å
  • b = 4.2315(9) Å
  • c = 12.261(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: Cu28 Se16 (Cu7 Se4)

Multiplicity: 1

Coordination sequences:

  • 4, 18, 26, 57, 80, 114, 171, 233, 311, 399
  • 6, 23, 38, 60, 86, 128, 191, 266, 313, 403
  • 6, 25, 34, 59, 107, 126, 188, 294, 319, 421
  • 8, 22, 37, 67, 87, 136, 203, 237, 354, 419
  • 9, 18, 42, 65, 85, 143, 205, 240, 361, 424
  • 10, 20, 37, 66, 98, 133, 200, 277, 334, 420
  • 10, 27, 39, 56, 108, 139, 184, 290, 334, 404
  • 11, 21, 45, 71, 88, 156, 211, 238, 383, 417
  • 12, 18, 39, 72, 91, 139, 215, 253, 362, 425
  • 13, 21, 36, 78, 86, 134, 223, 240, 348, 439
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